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Stuttgart ECP

  1. Dec 29, 2014 #1
    Hello !
    I don't really undestand the difference between these two terms.
    Stuttgart Librairy is a pseudopotential, right ?
    What is SDD? (I've seen that this is a EDP too is that ok?)

    So what does that mean if we say that we take a Stuttgar t effective core SDD basis set ?
    What is the difference between SDD and Stuttgart pseudopotential ?
    Thank you
     
  2. jcsd
  3. Dec 29, 2014 #2
    Sorry I made a mistake it's not EDP but of course ECP (for SDD)
     
  4. Dec 29, 2014 #3

    vanhees71

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    What are you referring too? There are more three-letter acronyms in your posting than digestible for me ;-).
     
  5. Dec 29, 2014 #4
    You're right !
    ECP = electron core potential
    And the SDD I don't know what is it...
    On this site you can find the SDD and Stuttgart but I don't understand what is the difference between the 2 to be able to understand what means if we say that we take a Stuttgar t effective core SDD basis set.
    http://www.gaussian.com/g_tech/g_ur/k_pseudo.htm [Broken]

    thank you !
     
    Last edited by a moderator: May 7, 2017
  6. Dec 29, 2014 #5

    vanhees71

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    I've never seen such a strange website. Obviously it's about some simulation software, but what the heck is it doing? I've no clue! In our field at least we write, what our software is doing, so that anybody can understand at least this :-):

    https://gibuu.hepforge.org/trac/wiki
     
  7. Dec 29, 2014 #6
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